200,000+ products from a single source!
sales@angenechem.com
122841-09-2 | Thiazolo[2,3-b]-1,3,4-thiadiazol-4-ium, 5-methyl-2-[(2-oxopropyl)thio]-, perchlorate (1:1)
CAS No: 122841-09-2 Catalog No: AG000JL1 MDL No:
Product Description
Catalog Number:
AG000JL1
Chemical Name:
Thiazolo[2,3-b]-1,3,4-thiadiazol-4-ium, 5-methyl-2-[(2-oxopropyl)thio]-, perchlorate (1:1)
CAS Number:
122841-09-2
Molecular Formula:
C8H9ClN2O5S3
Molecular Weight:
344.8155
IUPAC Name:
1-[(5-methyl-7aH-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-3-ium-2-yl)sulfanyl]propan-2-one
InChI:
InChI=1S/C8H10N2OS3/c1-5-3-13-8-10(5)9-7(14-8)12-4-6(2)11/h3,8H,4H2,1-2H3/p+1
InChI Key:
PCVCIZAJADUNOR-UHFFFAOYSA-O
SMILES:
[O-][Cl](=O)(=O)=O.CC(=O)CSc1n[n+]2c(s1)scc2C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.003g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.369g/mol
Monoisotopic Mass:
247.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.